1-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-prop-2-enyl-urea

Systemtic Name: 1-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]-3-prop-2-enylurea IUPAC Name: 1-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[6-(4-tosyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NCC=C

InChI

InChI=1S/C21H27N5O3S/c1-3-11-22-21(27)24-18-7-10-20(23-16-18)25-12-4-13-26(15-14-25)30(28,29)19-8-5-17(2)6-9-19/h3,5-10,16H,1,4,11-15H2,2H3,(H2,22,24,27)